N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide

C16H14FN5O — CID 155262791

IUPACN-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide
SMILESCNc1ncc2cc(-c3cc(NC=O)c(F)cc3C)cnc2n1
InChIInChI=1S/C16H14FN5O/c1-9-3-13(17)14(21-8-23)5-12(9)10-4-11-7-20-16(18-2)22-15(11)19-6-10/h3-8H,1-2H3,(H,21,23)(H,18,19,20,22)
InChIKeyUXJUTEUOYZATQK-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.75
Rot. Bonds4

About N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide

N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide (PubChem CID 155262791) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide
PubChem CID155262791
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide
SMILESCNc1ncc2cc(-c3cc(NC=O)c(F)cc3C)cnc2n1
InChIInChI=1S/C16H14FN5O/c1-9-3-13(17)14(21-8-23)5-12(9)10-4-11-7-20-16(18-2)22-15(11)19-6-10/h3-8H,1-2H3,(H,21,23)(H,18,19,20,22)
InChIKeyUXJUTEUOYZATQK-UHFFFAOYSA-N
XLogP2.75
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ly-3009120
CID 71721540
1-[2-Amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328117
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328118
3-Tert-butyl-1-(2-{[3-(diethylamino)propyl]amino}-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea
CID 5328119
1-[2-Amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328125
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-[2-Amino-6-(2,6-difluorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329115
1-[2-Amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329118
1-[2-Amino-6-(2,3-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329120
1-[2-Amino-6-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329122
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413
2-(2-cyanopyrimidin-5-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54584537

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide (CID 155262791) is N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide is CNc1ncc2cc(-c3cc(NC=O)c(F)cc3C)cnc2n1.
What is the InChIKey of N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide?
The InChIKey is UXJUTEUOYZATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-9-3-13(17)14(21-8-23)5-12(9)10-4-11-7-20-16(18-2)22-15(11)19-6-10/h3-8H,1-2H3,(H,21,23)(H,18,19,20,22).
What are the key properties of N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide?
N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide has a molecular weight of 311.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]formamide is sourced from PubChem (CID 155262791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).